3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea

C14H15N5S — CID 10334137

IUPAC3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
SMILESCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
InChIKeyXOBIGRNRXCAMJQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.67
Rot. Bonds3

About 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea

3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea (PubChem CID 10334137) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea.

Molecular Properties

Compound Name3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
PubChem CID10334137
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
SMILESCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
InChIKeyXOBIGRNRXCAMJQ-UHFFFAOYSA-N
XLogP1.67
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea?
The IUPAC name of 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea (CID 10334137) is 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea.
What is the SMILES notation for 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea?
The canonical SMILES for 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea is CN(C)C(=S)NN=C(c1ccccn1)c1ccccn1.
What is the InChIKey of 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea?
The InChIKey is XOBIGRNRXCAMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20).
What are the key properties of 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea?
3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea has a molecular weight of 285.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea is sourced from PubChem (CID 10334137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).